[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C18H19NO3 MolecularWeight: 297.34836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC=N2)C)C

InChI

InChI=1S/C18H19NO3/c1-11-9-13(3)15(10-12(11)2)17(20)14(4)22-18(21)16-7-5-6-8-19-16/h5-10,14H,1-4H3